3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide

C16H13ClN4O2S — CID 56764566

IUPAC3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C16H13ClN4O2S/c17-12-4-1-3-10(7-12)14-19-15(23-20-14)11-8-21(9-11)16(22)18-13-5-2-6-24-13/h1-7,11H,8-9H2,(H,18,22)
InChIKeyVEXQITLWCCKQTC-UHFFFAOYSA-N
MW360.83 g/mol
LogP4.08
Rot. Bonds3

About 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide

3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide (PubChem CID 56764566) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide
PubChem CID56764566
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC Name3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C16H13ClN4O2S/c17-12-4-1-3-10(7-12)14-19-15(23-20-14)11-8-21(9-11)16(22)18-13-5-2-6-24-13/h1-7,11H,8-9H2,(H,18,22)
InChIKeyVEXQITLWCCKQTC-UHFFFAOYSA-N
XLogP4.08
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 71784173
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylazetidine-1-carboxamide
CID 121095485
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095143
N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 121095489
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 70316849
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 42760859
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]butan-1-one
CID 121095144
(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 7219016
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56764561
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 71456522
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 121095249
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 7216459

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide?
The IUPAC name of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide (CID 56764566) is 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide?
The canonical SMILES for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide is O=C(Nc1cccs1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1.
What is the InChIKey of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide?
The InChIKey is VEXQITLWCCKQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c17-12-4-1-3-10(7-12)14-19-15(23-20-14)11-8-21(9-11)16(22)18-13-5-2-6-24-13/h1-7,11H,8-9H2,(H,18,22).
What are the key properties of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide?
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide has a molecular weight of 360.83 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-thiophen-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 56764566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).